6-ethylidene-8-methyl-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: 6-ethylidene-8-methyl-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: 6-ethylidene-8-methyl-N-(p-tolylmethyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: 6-ethylidene-8-methyl-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: 6-ethylidene-8-methyl-N-[(4-methylphenyl)methyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: 6-ethylidene-8-methyl-N-(4-methylbenzyl)-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C

Isomeric SMILES

CC=C1C2=C(C=CC(=C2)C)SC3=C(N1)C=C(C=C3)C(=O)NCC4=CC=C(C=C4)C

InChI

InChI=1S/C25H24N2OS/c1-4-21-20-13-17(3)7-11-23(20)29-24-12-10-19(14-22(24)27-21)25(28)26-15-18-8-5-16(2)6-9-18/h4-14,27H,15H2,1-3H3,(H,26,28)